==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/TRANSCRIPTION REGULATOR 14-JAN-09 3FUR . COMPND 2 MOLECULE: PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WANG,J.LIU,N.WALKER . 268 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 7 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 56.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 1 0 2 0 1 1 1 0 0 0 0 0 0 1 1 0 1 0 1 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 206 A P > 0 0 129 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -73.1 3.6 16.2 -15.7 2 207 A E H > + 0 0 150 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.817 360.0 52.3 -67.1 -35.0 2.4 13.4 -13.3 3 208 A S H > S+ 0 0 70 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.852 107.0 53.3 -69.1 -34.8 5.9 13.4 -11.7 4 209 A A H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.881 108.0 50.2 -63.0 -41.7 5.5 17.2 -11.2 5 210 A D H X S+ 0 0 113 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.808 108.3 52.4 -66.9 -34.0 2.2 16.6 -9.4 6 211 A L H X S+ 0 0 20 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.834 111.4 47.1 -74.3 -27.3 3.8 13.9 -7.2 7 212 A R H X S+ 0 0 86 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.915 110.6 51.0 -75.2 -41.7 6.5 16.4 -6.2 8 213 A A H X S+ 0 0 61 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.921 112.4 48.0 -57.4 -43.6 3.9 19.2 -5.6 9 214 A L H X S+ 0 0 22 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.966 111.3 50.4 -59.0 -55.4 2.0 16.6 -3.4 10 215 A A H X S+ 0 0 6 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.928 114.1 44.9 -42.9 -54.5 5.3 15.8 -1.6 11 216 A K H X S+ 0 0 120 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.929 111.8 50.5 -64.8 -48.1 6.0 19.5 -1.0 12 217 A H H X S+ 0 0 76 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.930 110.8 51.2 -52.6 -46.2 2.4 20.3 0.1 13 218 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.937 111.1 47.6 -61.1 -40.3 2.6 17.4 2.6 14 219 A Y H X S+ 0 0 82 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.917 110.0 51.6 -64.8 -45.1 5.9 18.8 3.9 15 220 A D H X S+ 0 0 54 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.916 112.7 46.8 -54.9 -47.6 4.6 22.4 4.3 16 221 A S H X S+ 0 0 7 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.802 108.9 53.8 -64.0 -37.5 1.6 21.0 6.2 17 222 A Y H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 3,-0.3 0.937 108.8 49.5 -62.9 -49.3 3.8 18.8 8.4 18 223 A I H < S+ 0 0 69 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.849 115.5 44.0 -55.5 -38.8 5.9 22.0 9.3 19 224 A K H < S+ 0 0 167 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.745 119.0 42.9 -79.4 -23.4 2.7 23.8 10.2 20 225 A S H < S+ 0 0 18 -4,-1.5 -2,-0.2 -3,-0.3 -3,-0.2 0.766 112.1 50.1 -94.6 -29.3 1.1 20.9 12.1 21 226 A F < - 0 0 6 -4,-2.6 -1,-0.2 1,-0.1 3,-0.1 -0.896 57.1-170.7-122.9 102.4 4.1 19.7 14.1 22 227 A P S S+ 0 0 85 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.856 81.2 55.5 -64.1 -33.5 6.1 22.3 16.2 23 228 A L S S- 0 0 28 4,-0.0 2,-0.1 3,-0.0 101,-0.1 -0.800 76.4-177.8-103.4 99.5 8.9 19.8 17.1 24 229 A T > - 0 0 21 -2,-0.8 4,-1.8 1,-0.1 5,-0.1 -0.284 40.0-108.7 -83.4 170.3 10.4 18.3 13.9 25 230 A K H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.862 116.0 60.6 -68.6 -35.6 13.1 15.6 13.5 26 231 A A H > S+ 0 0 67 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.945 110.7 40.9 -55.9 -48.9 15.6 18.2 12.1 27 232 A K H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.846 113.4 53.4 -71.9 -32.9 15.3 20.1 15.4 28 233 A A H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.874 108.0 49.7 -70.5 -35.8 15.3 17.0 17.6 29 234 A R H X S+ 0 0 68 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.819 108.0 54.4 -73.6 -29.2 18.5 15.7 16.0 30 235 A A H <>S+ 0 0 25 -4,-1.3 5,-3.2 -5,-0.2 4,-0.3 0.917 114.0 41.6 -62.1 -49.1 20.2 19.1 16.6 31 236 A I H ><5S+ 0 0 19 -4,-1.9 3,-1.4 3,-0.2 -2,-0.2 0.956 114.6 50.6 -61.0 -50.4 19.2 18.9 20.3 32 237 A L H 3<5S+ 0 0 34 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.790 117.9 38.8 -64.9 -29.6 20.1 15.2 20.6 33 238 A T T 3<5S- 0 0 74 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.365 112.6-119.9 -96.2 -0.1 23.6 15.6 19.0 34 239 A G T < 5 + 0 0 51 -3,-1.4 -3,-0.2 -4,-0.3 -4,-0.1 0.947 68.0 136.5 60.2 52.2 24.1 19.0 20.8 35 240 A K < + 0 0 161 -5,-3.2 2,-0.3 -6,-0.1 -1,-0.1 -0.501 44.9 94.1-120.9 60.6 24.5 21.2 17.7 36 241 A T S S- 0 0 45 2,-0.2 4,-0.0 -5,-0.1 -9,-0.0 -0.992 76.5-128.6-153.1 145.6 22.3 24.0 18.9 37 242 A T S S+ 0 0 158 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.690 83.1 103.8 -74.6 -16.7 22.8 27.4 20.6 38 243 A D S S- 0 0 94 1,-0.1 -2,-0.2 -3,-0.0 2,-0.0 -0.270 87.8 -94.5 -55.1 145.9 20.1 26.2 23.1 39 244 A K - 0 0 187 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.349 53.3 -90.7 -59.6 142.6 21.1 25.0 26.5 40 245 A S - 0 0 89 1,-0.1 -1,-0.1 -3,-0.1 -8,-0.1 -0.221 53.3 -94.2 -51.4 147.3 21.5 21.2 26.7 41 246 A P - 0 0 29 0, 0.0 2,-0.4 0, 0.0 85,-0.3 -0.354 39.2-104.0 -66.7 146.1 18.4 19.3 27.7 42 247 A F E -a 126 0A 84 83,-2.3 85,-2.2 -3,-0.1 2,-0.4 -0.597 38.8-135.1 -68.9 124.3 17.8 18.5 31.4 43 248 A V E -a 127 0A 67 -2,-0.4 2,-0.6 83,-0.2 85,-0.2 -0.689 14.8-162.2 -88.9 131.3 18.4 14.8 31.9 44 249 A I E +a 128 0A 12 83,-3.2 85,-2.3 -2,-0.4 88,-0.2 -0.961 29.7 145.5-113.3 115.3 16.1 12.6 33.9 45 250 A Y - 0 0 137 -2,-0.6 2,-0.2 83,-0.2 -1,-0.1 0.316 67.8 -10.5-133.4 6.1 17.6 9.3 35.0 46 251 A D S > S- 0 0 47 1,-0.1 4,-1.7 86,-0.0 5,-0.1 -0.892 89.6 -65.8-172.0-159.2 16.0 8.7 38.5 47 252 A M H > S+ 0 0 84 -2,-0.2 4,-3.0 2,-0.2 5,-0.2 0.865 125.9 57.8 -76.4 -41.0 13.9 10.2 41.2 48 253 A N H > S+ 0 0 103 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.982 116.7 32.5 -49.4 -65.6 16.6 12.8 42.1 49 254 A S H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 117.0 56.1 -62.9 -42.9 16.6 14.1 38.5 50 255 A L H < S+ 0 0 29 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.898 107.8 51.2 -54.0 -42.5 12.9 13.5 37.9 51 256 A M H < S+ 0 0 131 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.949 109.5 46.1 -64.6 -53.7 12.2 15.6 41.0 52 257 A M H < 0 0 134 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.975 360.0 360.0 -50.2 -58.3 14.3 18.7 40.0 53 258 A G < 0 0 69 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.999 360.0 360.0 -63.7 360.0 12.7 18.5 36.6 54 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 55 275 A K 0 0 137 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.4 0.6 9.4 42.7 56 276 A E >> - 0 0 83 1,-0.1 4,-2.3 3,-0.1 3,-0.7 -0.221 360.0-105.7 -65.1 157.9 3.5 6.9 42.4 57 277 A V H 3> S+ 0 0 33 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.853 117.7 53.9 -58.7 -39.6 6.3 7.6 39.9 58 278 A A H 3> S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.863 112.1 45.4 -60.4 -40.6 5.2 5.1 37.3 59 279 A I H <> S+ 0 0 7 -3,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.868 108.1 55.1 -76.4 -37.2 1.7 6.6 37.2 60 280 A R H X S+ 0 0 124 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.816 113.6 44.2 -62.5 -32.0 2.9 10.2 37.1 61 281 A I H X S+ 0 0 17 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.930 111.4 51.4 -75.2 -48.6 4.9 9.2 34.0 62 282 A F H X S+ 0 0 15 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.902 111.5 49.3 -51.7 -44.8 2.1 7.2 32.4 63 283 A Q H X S+ 0 0 59 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.800 107.2 54.4 -68.4 -32.4 -0.2 10.3 32.9 64 284 A G H X S+ 0 0 40 -4,-1.0 4,-2.1 -3,-0.2 -1,-0.2 0.882 107.2 50.9 -64.9 -40.4 2.4 12.6 31.3 65 285 A C H X S+ 0 0 65 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.924 110.1 51.3 -61.1 -43.8 2.5 10.3 28.3 66 286 A Q H X S+ 0 0 11 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.935 108.9 48.5 -58.5 -52.1 -1.3 10.5 28.1 67 287 A F H X S+ 0 0 161 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.915 114.0 46.8 -55.8 -45.7 -1.4 14.4 28.3 68 288 A R H X S+ 0 0 104 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.900 108.4 56.5 -64.2 -39.3 1.2 14.6 25.5 69 289 A S H X S+ 0 0 9 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.841 102.1 57.0 -58.7 -37.2 -0.8 12.0 23.4 70 290 A V H X S+ 0 0 12 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.966 110.1 43.1 -56.3 -55.7 -3.9 14.3 23.6 71 291 A E H X S+ 0 0 82 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.876 113.5 52.9 -55.2 -44.7 -1.9 17.1 22.0 72 292 A A H X S+ 0 0 10 -4,-2.3 4,-2.7 1,-0.2 3,-0.3 0.937 106.0 51.8 -61.7 -46.4 -0.3 14.7 19.5 73 293 A V H X S+ 0 0 2 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.895 110.2 51.6 -55.7 -38.9 -3.7 13.4 18.4 74 294 A Q H X S+ 0 0 82 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.833 112.1 44.3 -65.4 -37.4 -4.8 17.0 17.9 75 295 A E H X S+ 0 0 27 -4,-1.7 4,-2.0 -3,-0.3 -2,-0.2 0.829 113.3 50.6 -77.9 -36.1 -1.7 17.8 15.7 76 296 A I H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.846 108.9 52.7 -68.6 -35.4 -2.1 14.6 13.7 77 297 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.951 109.1 48.2 -64.0 -49.3 -5.8 15.5 13.1 78 298 A E H < S+ 0 0 83 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.909 114.1 48.4 -55.6 -45.1 -4.8 18.9 11.8 79 299 A Y H >< S+ 0 0 0 -4,-2.0 3,-1.4 2,-0.2 4,-0.3 0.919 109.3 50.6 -59.7 -51.5 -2.2 17.2 9.6 80 300 A A H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 6,-0.2 0.910 104.1 61.1 -53.4 -42.2 -4.7 14.5 8.3 81 301 A K T 3< S+ 0 0 35 -4,-2.6 6,-0.3 1,-0.3 -1,-0.3 0.675 101.1 53.5 -59.2 -19.7 -7.1 17.4 7.4 82 302 A S T < S+ 0 0 29 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.425 79.6 105.8 -96.5 -0.1 -4.4 18.8 5.0 83 303 A I S X S- 0 0 2 -3,-1.9 3,-2.1 -4,-0.3 4,-0.4 -0.726 87.3-107.6 -78.3 117.6 -4.0 15.5 3.1 84 304 A P T 3 S+ 0 0 71 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.215 101.5 16.4 -53.0 132.5 -5.9 16.3 -0.2 85 305 A G T > S+ 0 0 30 -4,-0.1 3,-0.7 4,-0.0 4,-0.3 0.065 97.4 103.4 96.3 -24.3 -9.2 14.4 -0.4 86 306 A F G X S+ 0 0 0 -3,-2.1 3,-1.3 1,-0.2 -5,-0.1 0.880 77.4 48.9 -62.2 -45.4 -9.4 13.6 3.4 87 307 A V G 3 S+ 0 0 79 -4,-0.4 -1,-0.2 -6,-0.3 4,-0.1 0.637 107.6 57.3 -72.4 -13.5 -12.0 16.2 4.4 88 308 A N G < S+ 0 0 147 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.445 86.3 101.6 -94.0 -4.6 -14.3 15.1 1.6 89 309 A L S < S- 0 0 17 -3,-1.3 5,-0.1 -4,-0.3 -4,-0.0 -0.441 96.6 -77.0 -73.7 154.9 -14.3 11.5 2.8 90 310 A D >> - 0 0 60 1,-0.2 4,-1.9 92,-0.1 3,-0.7 -0.315 43.4-129.8 -45.1 132.0 -17.4 10.3 4.8 91 311 A L H 3> S+ 0 0 61 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.767 107.3 58.0 -65.6 -27.6 -16.9 11.8 8.3 92 312 A N H 3> S+ 0 0 107 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.861 107.8 47.7 -67.3 -34.5 -17.5 8.4 9.9 93 313 A D H <> S+ 0 0 2 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.826 106.8 55.9 -76.2 -33.4 -14.6 7.1 7.9 94 314 A Q H X S+ 0 0 7 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.941 109.8 47.7 -55.8 -50.2 -12.4 10.1 8.9 95 315 A V H X S+ 0 0 10 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.933 112.6 47.7 -55.1 -51.1 -13.1 9.2 12.5 96 316 A T H X S+ 0 0 22 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.864 109.2 53.6 -58.2 -46.3 -12.3 5.4 11.9 97 317 A L H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.918 113.9 42.9 -54.9 -46.1 -9.0 6.2 10.0 98 318 A L H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.933 112.1 52.8 -67.2 -47.0 -7.8 8.4 13.0 99 319 A K H < S+ 0 0 4 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.889 118.7 34.7 -53.7 -47.4 -9.0 5.9 15.7 100 320 A Y H < S+ 0 0 56 -4,-2.3 -1,-0.2 -5,-0.1 4,-0.2 0.630 127.6 37.3 -88.1 -12.6 -7.1 3.0 14.2 101 321 A G H X S+ 0 0 0 -4,-1.2 4,-1.5 -5,-0.2 3,-0.3 0.690 87.7 84.8-114.5 -20.3 -4.1 4.9 12.9 102 322 A V H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 5,-0.1 0.879 91.9 50.8 -56.1 -42.3 -3.2 7.7 15.4 103 323 A H H > S+ 0 0 6 -4,-0.3 4,-2.2 -5,-0.2 5,-0.2 0.884 105.9 55.2 -61.5 -42.2 -1.0 5.4 17.6 104 324 A E H > S+ 0 0 8 -3,-0.3 4,-1.7 -4,-0.2 -1,-0.2 0.868 112.5 44.9 -53.7 -40.5 1.0 4.1 14.6 105 325 A I H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.882 108.4 55.5 -72.8 -42.5 1.8 7.8 13.8 106 326 A I H X S+ 0 0 15 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.920 113.4 42.1 -54.8 -44.4 2.6 8.8 17.4 107 327 A Y H X S+ 0 0 26 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.838 110.8 54.8 -81.6 -28.5 5.2 6.0 17.5 108 328 A T H < S+ 0 0 1 -4,-1.7 4,-0.5 -5,-0.2 -1,-0.2 0.959 116.7 39.3 -55.5 -51.9 6.6 6.7 14.1 109 329 A M H >X S+ 0 0 30 -4,-2.5 3,-0.9 1,-0.2 4,-0.6 0.830 106.3 62.7 -74.2 -34.6 7.2 10.3 15.2 110 330 A L H >< S+ 0 0 41 -4,-2.3 3,-1.7 -5,-0.2 4,-0.3 0.895 94.2 65.5 -55.6 -38.4 8.3 9.5 18.7 111 331 A A G >< S+ 0 0 0 -4,-1.4 3,-1.3 1,-0.3 -1,-0.2 0.807 91.2 62.7 -54.3 -34.7 11.3 7.7 17.0 112 332 A S G <4 S+ 0 0 6 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.796 106.5 45.7 -56.2 -33.0 12.5 11.1 15.7 113 333 A L G << S+ 0 0 21 -3,-1.7 7,-2.0 -4,-0.6 2,-0.3 0.425 105.7 83.7 -90.5 -1.1 12.9 12.1 19.4 114 334 A M E < +B 119 0A 2 -3,-1.3 2,-0.2 -4,-0.3 5,-0.2 -0.751 42.8 172.6-112.8 147.3 14.7 8.8 20.4 115 335 A N E > -B 118 0A 45 3,-2.7 3,-0.9 -2,-0.3 37,-0.1 -0.775 57.3 -84.2-126.3-174.9 18.2 7.3 20.5 116 336 A K T 3 S+ 0 0 126 -2,-0.2 3,-0.1 1,-0.2 32,-0.0 0.640 127.7 47.0 -61.0 -12.6 19.4 4.0 22.0 117 337 A D T 3 S- 0 0 87 1,-0.2 13,-2.2 13,-0.1 14,-0.4 0.537 121.0 -52.3-109.4 -11.1 19.8 5.9 25.3 118 338 A G E < -BC 115 129A 0 -3,-0.9 -3,-2.7 11,-0.3 2,-0.3 -0.991 51.2 -86.5 163.4-166.8 16.6 7.8 25.8 119 339 A V E -BC 114 128A 6 9,-1.9 9,-3.1 -2,-0.3 2,-0.2 -0.988 29.9-113.8-143.9 139.1 13.9 10.2 24.5 120 340 A L E + C 0 127A 3 -7,-2.0 2,-0.3 -2,-0.3 7,-0.3 -0.569 36.7 179.2 -71.8 138.4 13.3 13.9 24.3 121 341 A I E >> + C 0 126A 50 5,-1.9 5,-2.3 -2,-0.2 4,-0.8 -0.830 53.5 38.9-135.2 169.8 10.3 15.3 26.3 122 342 A S T >45S- 0 0 74 -2,-0.3 3,-1.3 1,-0.2 -1,-0.2 0.918 134.6 -53.5 50.8 52.3 8.8 18.7 27.0 123 343 A E T 345S- 0 0 123 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.874 110.8 -46.8 50.6 43.4 9.4 19.9 23.4 124 344 A G T 345S+ 0 0 8 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.537 115.6 110.1 81.4 8.8 13.1 19.0 23.6 125 345 A Q T <<5S+ 0 0 145 -3,-1.3 -83,-2.3 -4,-0.8 2,-0.3 0.660 79.3 40.2 -86.6 -16.3 13.7 20.6 27.0 126 346 A G E < -aC 42 121A 5 -5,-2.3 -5,-1.9 -85,-0.3 2,-0.4 -0.855 61.9-155.1-129.8 162.2 14.1 17.2 28.7 127 347 A F E -aC 43 120A 28 -85,-2.2 -83,-3.2 -2,-0.3 2,-0.6 -0.973 9.3-161.5-137.9 121.6 15.7 13.9 28.1 128 348 A M E -aC 44 119A 21 -9,-3.1 -9,-1.9 -2,-0.4 -83,-0.2 -0.931 22.6-126.9-109.4 123.5 14.4 10.8 29.8 129 349 A T E > - C 0 118A 23 -85,-2.3 4,-1.6 -2,-0.6 -11,-0.3 -0.310 7.1-131.0 -75.2 149.4 16.8 7.9 29.8 130 350 A R H > S+ 0 0 42 -13,-2.2 4,-2.0 2,-0.2 -12,-0.2 0.790 107.4 55.6 -65.5 -34.8 15.8 4.4 28.5 131 351 A E H > S+ 0 0 127 -14,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.882 106.0 53.6 -67.3 -38.1 17.2 2.6 31.6 132 352 A F H 4 S+ 0 0 7 2,-0.2 4,-0.4 1,-0.2 3,-0.4 0.936 111.0 43.7 -59.0 -50.3 15.0 4.9 33.8 133 353 A L H >< S+ 0 0 18 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.863 111.6 55.1 -65.3 -35.2 11.8 4.0 31.9 134 354 A K H 3< S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.795 99.9 61.9 -66.1 -27.3 12.9 0.3 31.9 135 355 A S T 3< S+ 0 0 86 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.596 79.5 109.6 -76.7 -12.0 13.2 0.5 35.8 136 356 A L S < S- 0 0 17 -3,-1.0 5,-0.3 -4,-0.4 -3,-0.0 -0.354 77.9-101.0 -66.6 146.7 9.4 1.3 36.2 137 357 A R >> - 0 0 90 3,-0.2 4,-0.9 1,-0.1 3,-0.8 -0.261 61.1 -46.3 -71.5 153.3 7.3 -1.4 37.7 138 358 A K T 34 S+ 0 0 157 1,-0.3 -1,-0.1 2,-0.2 -80,-0.0 -0.291 122.7 14.6 -53.4 137.8 5.1 -3.7 35.7 139 359 A P T >4 S+ 0 0 11 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 -0.996 126.1 53.2 -89.3 -6.5 3.2 -3.0 33.6 140 360 A F G X4 S+ 0 0 10 -3,-0.8 3,-1.0 1,-0.3 4,-0.4 0.770 103.8 56.3 -59.6 -31.6 4.6 0.6 33.1 141 361 A G G 3< S+ 0 0 6 -4,-0.9 4,-0.3 -5,-0.3 -1,-0.3 0.480 101.3 60.3 -82.5 -2.2 8.3 -0.5 32.6 142 362 A D G < S+ 0 0 72 -3,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.421 86.5 77.6 -98.7 -6.5 7.2 -2.7 29.7 143 363 A F S < S+ 0 0 24 -3,-1.0 4,-0.4 -4,-0.3 -2,-0.1 0.939 99.3 32.1 -69.2 -50.1 5.7 0.1 27.4 144 364 A M S >> S+ 0 0 29 -4,-0.4 4,-1.9 1,-0.2 3,-0.5 0.759 97.2 78.6 -92.0 -22.4 8.7 1.8 25.9 145 365 A E H 3> S+ 0 0 38 -4,-0.3 4,-1.9 1,-0.3 3,-0.4 0.920 96.6 48.6 -54.4 -47.9 11.3 -1.0 25.6 146 366 A P H 3> S+ 0 0 35 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.823 109.8 54.4 -57.8 -31.5 9.6 -2.4 22.4 147 367 A K H <> S+ 0 0 11 -3,-0.5 4,-3.0 -4,-0.4 -2,-0.2 0.836 105.7 50.4 -74.3 -30.7 9.5 1.2 21.0 148 368 A F H X S+ 0 0 1 -4,-1.9 4,-2.4 -3,-0.4 5,-0.3 0.875 109.7 52.0 -70.5 -39.1 13.3 1.6 21.5 149 369 A E H X S+ 0 0 114 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.958 114.5 42.8 -60.2 -50.5 13.8 -1.6 19.7 150 370 A F H X S+ 0 0 18 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.944 114.9 49.6 -54.2 -52.3 11.6 -0.3 16.9 151 371 A A H X S+ 0 0 2 -4,-3.0 4,-3.8 1,-0.2 5,-0.2 0.862 104.7 55.0 -63.7 -42.5 13.2 3.2 16.8 152 372 A V H X S+ 0 0 64 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.926 116.0 39.0 -59.6 -46.1 16.9 2.2 16.8 153 373 A K H < S+ 0 0 148 -4,-1.2 3,-0.4 -5,-0.3 -1,-0.2 0.896 118.2 48.7 -70.1 -40.2 16.3 0.1 13.6 154 374 A F H >< S+ 0 0 5 -4,-2.5 3,-1.7 1,-0.2 5,-0.4 0.903 108.1 55.0 -67.2 -42.3 13.9 2.6 12.1 155 375 A N H >< S+ 0 0 26 -4,-3.8 3,-1.1 1,-0.3 -1,-0.2 0.706 94.9 66.9 -65.2 -22.9 16.3 5.5 12.7 156 376 A A T 3< S+ 0 0 74 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.427 86.5 70.1 -79.8 -0.3 19.1 3.8 10.9 157 377 A L T < S- 0 0 24 -3,-1.7 -1,-0.2 -4,-0.1 -2,-0.2 0.596 99.9-141.5 -81.9 -16.8 17.1 4.2 7.7 158 378 A E < + 0 0 148 -3,-1.1 2,-0.1 -4,-0.2 -3,-0.1 0.828 29.9 176.9 62.8 43.4 17.9 8.0 8.1 159 379 A L - 0 0 5 -5,-0.4 2,-0.2 1,-0.1 -1,-0.2 -0.422 14.8-148.6 -73.4 147.0 14.6 9.5 7.0 160 380 A D > - 0 0 59 -2,-0.1 4,-2.3 1,-0.0 3,-0.3 -0.547 35.0 -90.2-106.7 177.4 14.1 13.3 7.1 161 381 A D H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -2,-0.0 0.857 126.6 56.3 -56.9 -36.5 11.0 15.3 7.8 162 382 A S H > S+ 0 0 28 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.890 110.7 44.8 -65.4 -37.7 10.2 15.5 4.1 163 383 A D H > S+ 0 0 0 -3,-0.3 4,-1.9 1,-0.2 3,-0.4 0.923 112.2 51.5 -67.1 -49.5 10.2 11.6 3.9 164 384 A L H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.812 98.5 65.3 -56.5 -41.2 8.2 11.2 7.1 165 385 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.899 110.9 36.3 -52.2 -45.9 5.4 13.5 6.0 166 386 A I H X S+ 0 0 0 -4,-0.8 4,-2.2 -3,-0.4 -1,-0.2 0.844 113.5 56.2 -76.5 -39.6 4.5 11.1 3.2 167 387 A F H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.893 110.8 46.5 -55.0 -44.9 5.1 7.9 5.2 168 388 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.855 109.4 53.1 -65.6 -46.4 2.6 9.1 7.8 169 389 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 -5,-0.2 -2,-0.2 0.898 107.2 52.1 -58.4 -47.1 -0.0 10.1 5.2 170 390 A V H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.905 109.3 50.1 -55.6 -46.6 0.1 6.6 3.6 171 391 A I H >< S+ 0 0 4 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.888 108.7 52.1 -61.1 -39.5 -0.5 5.0 7.1 172 392 A I H 3< S+ 0 0 2 -4,-1.8 2,-1.2 1,-0.3 -1,-0.2 0.889 103.3 58.1 -67.3 -41.2 -3.5 7.2 7.9 173 393 A L T 3< S+ 0 0 0 -4,-1.9 2,-0.5 -5,-0.1 -1,-0.3 -0.386 73.8 152.0 -86.8 54.9 -5.2 6.4 4.6 174 394 A S X - 0 0 8 -2,-1.2 3,-0.9 -3,-0.6 13,-0.1 -0.802 34.2-159.9 -85.1 123.6 -5.3 2.6 5.2 175 395 A G T 3 S+ 0 0 13 -2,-0.5 -1,-0.1 1,-0.2 5,-0.1 0.560 83.0 67.5 -79.5 -6.7 -8.3 0.9 3.5 176 396 A D T 3 + 0 0 98 2,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.302 64.4 122.8-104.3 7.7 -8.2 -2.1 5.7 177 397 A R S X S- 0 0 18 -3,-0.9 3,-1.1 1,-0.1 2,-0.1 -0.406 73.6 -95.3 -61.5 144.4 -9.2 -0.6 9.1 178 398 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -78,-0.1 -0.389 101.3 16.5 -66.7 139.7 -12.3 -2.3 10.6 179 399 A G T 3 S+ 0 0 65 1,-0.2 2,-0.2 -2,-0.1 -83,-0.1 0.529 76.8 156.3 83.8 6.6 -15.7 -0.8 9.9 180 400 A L < - 0 0 21 -3,-1.1 3,-0.3 1,-0.1 -1,-0.2 -0.480 28.4-160.4 -66.3 136.3 -14.9 1.5 7.0 181 401 A L S S+ 0 0 106 1,-0.2 2,-0.6 -2,-0.2 -1,-0.1 0.925 81.8 32.3 -80.6 -52.1 -17.9 2.3 4.9 182 402 A N > + 0 0 79 1,-0.2 4,-0.7 -92,-0.1 -1,-0.2 -0.774 63.6 168.0-116.6 85.2 -16.3 3.4 1.7 183 403 A V H >> + 0 0 58 -2,-0.6 4,-2.1 -3,-0.3 3,-0.7 0.891 67.1 64.6 -61.0 -45.8 -13.0 1.5 1.2 184 404 A K H 3> S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.858 97.5 48.7 -52.1 -53.9 -12.4 2.6 -2.5 185 405 A P H 3> S+ 0 0 56 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.813 112.9 51.9 -63.1 -25.5 -11.9 6.3 -2.3 186 406 A I H < + 0 0 36 -4,-1.9 3,-1.6 -5,-0.3 -1,-0.2 -0.506 69.8 159.6-131.6 59.6 17.7 8.5 -0.9 206 426 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.786 76.8 42.4 -56.1 -32.1 19.0 7.3 -4.4 207 427 A E T 3 S+ 0 0 189 2,-0.1 2,-0.8 4,-0.0 -5,-0.1 0.273 81.4 113.3-104.0 12.8 21.6 4.9 -2.9 208 428 A S S X S- 0 0 45 -3,-1.6 3,-1.4 -7,-0.3 2,-0.1 -0.768 72.1-120.5 -92.3 112.6 19.6 3.4 -0.1 209 429 A S T 3 S- 0 0 88 -2,-0.8 5,-0.1 1,-0.3 -2,-0.1 -0.263 79.9 -23.2 -60.5 120.5 19.0 -0.3 -0.9 210 430 A Q T 3> S+ 0 0 134 1,-0.1 4,-2.6 -2,-0.1 -1,-0.3 0.798 81.2 159.6 53.2 38.0 15.3 -1.3 -1.1 211 431 A L H <> + 0 0 7 -3,-1.4 4,-2.9 1,-0.2 5,-0.2 0.899 68.5 53.1 -60.0 -43.2 14.2 1.6 1.0 212 432 A F H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.952 112.9 42.0 -56.7 -53.2 10.6 1.6 -0.2 213 433 A A H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 113.4 54.7 -63.5 -39.2 10.1 -2.2 0.6 214 434 A K H X S+ 0 0 91 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.938 109.1 47.5 -54.8 -48.7 12.0 -1.7 3.9 215 435 A L H X S+ 0 0 1 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.856 108.0 54.8 -63.6 -38.0 9.5 1.1 4.8 216 436 A L H X S+ 0 0 63 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.882 107.1 50.7 -65.5 -36.0 6.5 -1.0 3.8 217 437 A Q H X S+ 0 0 110 -4,-2.0 4,-2.6 1,-0.2 3,-0.3 0.905 104.4 58.9 -64.8 -39.1 7.7 -3.7 6.2 218 438 A K H X S+ 0 0 35 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.854 100.2 56.5 -56.8 -36.0 8.0 -1.0 8.9 219 439 A M H X S+ 0 0 26 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.889 108.6 46.7 -63.8 -39.8 4.3 -0.2 8.5 220 440 A T H X S+ 0 0 84 -4,-1.2 4,-1.2 -3,-0.3 3,-0.4 0.906 110.7 51.9 -65.6 -43.2 3.6 -3.9 9.3 221 441 A D H X S+ 0 0 51 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.856 104.1 59.4 -61.4 -35.8 6.0 -3.7 12.3 222 442 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.866 99.3 55.9 -61.6 -35.4 4.1 -0.7 13.5 223 443 A R H X S+ 0 0 80 -4,-1.1 4,-2.6 -3,-0.4 -1,-0.2 0.890 108.7 47.3 -63.7 -38.8 0.8 -2.7 13.7 224 444 A Q H X S+ 0 0 107 -4,-1.2 4,-2.7 2,-0.2 5,-0.3 0.928 108.7 54.2 -66.5 -47.9 2.4 -5.3 16.0 225 445 A I H X S+ 0 0 20 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.904 113.7 42.8 -51.3 -43.5 3.9 -2.5 18.2 226 446 A V H X S+ 0 0 15 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.868 108.8 57.0 -75.4 -37.9 0.4 -1.1 18.6 227 447 A T H X S+ 0 0 66 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.956 113.1 41.9 -52.1 -51.3 -1.3 -4.5 19.1 228 448 A E H X S+ 0 0 96 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.880 112.2 54.8 -64.7 -40.1 1.1 -5.1 22.1 229 449 A H H X S+ 0 0 7 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.909 108.7 47.8 -60.2 -42.4 0.7 -1.5 23.3 230 450 A V H X S+ 0 0 12 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.816 105.7 59.5 -73.5 -28.6 -3.1 -1.9 23.4 231 451 A Q H X S+ 0 0 125 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.898 106.5 47.8 -57.7 -45.7 -2.8 -5.2 25.3 232 452 A L H X S+ 0 0 38 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.888 109.4 52.0 -64.6 -42.5 -0.9 -3.4 28.0 233 453 A L H X S+ 0 0 5 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.876 109.4 51.2 -57.9 -42.3 -3.6 -0.6 28.1 234 454 A Q H X S+ 0 0 48 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.945 109.9 48.6 -59.4 -50.7 -6.2 -3.4 28.5 235 455 A V H X S+ 0 0 65 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.891 111.9 49.8 -55.1 -42.5 -4.3 -5.0 31.4 236 456 A I H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.907 112.0 47.8 -65.1 -42.2 -4.0 -1.5 33.0 237 457 A K H < S+ 0 0 122 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.908 116.1 44.0 -64.0 -44.6 -7.8 -1.0 32.6 238 458 A K H < S+ 0 0 138 -4,-2.9 -2,-0.2 1,-0.1 -1,-0.2 0.815 130.6 19.8 -68.6 -31.6 -8.6 -4.4 34.0 239 459 A T H < S+ 0 0 92 -4,-2.0 2,-0.3 -5,-0.2 -2,-0.2 0.458 106.1 74.8-131.0 -6.2 -6.2 -4.3 36.9 240 460 A E S < S- 0 0 45 -4,-2.4 3,-0.1 -5,-0.2 0, 0.0 -0.730 82.3 -94.0-106.0 161.3 -5.1 -0.8 37.8 241 461 A T - 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